| Name |
Avenacin A-1 |
| Formula |
C55H83NO21 |
| Mw |
1093.54575872 |
| CAS RN |
90547-90-3 |
| C_ID |
C00003502
, 
|
| InChIKey |
SYXUBXTYGFJFEH-QZLOENOGNA-N |
| InChICode |
InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36-,37+,38+,39-,40-,41-,42-,43+,44-,46-,47-,48-,49-,50?,51-,52-,53+,54-,55+/m0/s1 |
| SMILES |
C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@]3([C@@H](C1)O3)[C@H]1[C@@]([C@H](C2)O)(C[C@@H]([C@](C1)(C)C=O)OC(=O)c1c(cccc1)NC)C)C)C)C)(C)CO)O[C@H]1[C@H]([C@H]([C@H](CO1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
Indole-3 GGPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Poaceae | Avena sativa  | Ref. |
|
|
zoom in
| Organism | Avena sativa |
|---|
| Reference | Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53 |
|---|
|
